SCHEMBL8740420

SCHEMBL8740420

CO[C@H]1O[C@H](C(O)Cc2ccccc2)[C@](O)(C(=O)c2ccccc2)[C@]1(O)C(=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 4/20 0.36
ATM Q13315 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
MDM2 Q00987 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PSMB5 P28074 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
APEX1 P27695 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TACR1 P25103 1/20 0.33
FPR2 P25090 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9094342 0.87 MDM2 (0.35) CTRB1ATMLMNAALDH1A1GLA
SCHEMBL7638594 0.81 HIF1A (0.37) ATMLMNAALDH1A1NPC1RAB9A
SCHEMBL8740392 0.81 CTRB1 (0.38) CTRB1MDM2NPC1RAB9APSMB5
SCHEMBL7563870 0.81 PPARG (0.32) LMNAALDH1A1PPARGPPARAPSMB5
SCHEMBL8818025 0.78 TSHR (0.37) LMNAALDH1A1NPC1RAB9AMEN1
SCHEMBL5798396 0.75
SCHEMBL7744301 0.75
SCHEMBL7744298 0.75
SCHEMBL8541705 0.75 ADRB3 (0.36)
SCHEMBL7743886 0.75 ALDH1A1 (0.36) ATMLMNAALDH1A1NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647139-A4 ADHESIN-OLIGOSACCHARIDE CONJUGATE VACCINE FOR -i(HAEMOPHILUS INFLUENZAE). MICROCARB INC (US) 1997-09-03 EP disclosed
EP-0647139-A1 ADHESIN-OLIGOSACCHARIDE CONJUGATE VACCINE FOR $i(HAEMOPHILUS INFLUENZAE) MICROCARB, INC. (US) 1995-04-12 EP disclosed